methyl 3-(phenylsulfinyl)-2-[(2-pyridin-4-yl-3H-benzimidazol-5-yl)carbonylamino]propanoate

Systemtic Name: methyl 3-(phenylsulfinyl)-2-[(2-pyridin-4-yl-3H-benzimidazol-5-yl)carbonylamino]propanoate Openeye Name: methyl 3-(benzenesulfinyl)-2-[[2-(4-pyridyl)-3H-benzimidazole-5-carbonyl]amino]propanoate CAS Name: 3-(benzenesulfinyl)-2-[[oxo-(2-pyridin-4-yl-3H-benzimidazol-5-yl)methyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-(benzenesulfinyl)-2-[(2-pyridin-4-yl-3H-benzimidazole-5-carbonyl)amino]propanoate Traditional Name: 3-(benzenesulfinyl)-2-[[2-(4-pyridyl)-3H-benzimidazole-5-carbonyl]amino]propionic acid methyl ester Formula: C23H20N4O4S MolecularWeight: 448.4943

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CS(=O)C1=CC=CC=C1)NC(=O)C2=CC3=C(C=C2)N=C(N3)C4=CC=NC=C4

Isomeric SMILES

COC(=O)C(CS(=O)C1=CC=CC=C1)NC(=O)C2=CC3=C(C=C2)N=C(N3)C4=CC=NC=C4

InChI

InChI=1S/C23H20N4O4S/c1-31-23(29)20(14-32(30)17-5-3-2-4-6-17)27-22(28)16-7-8-18-19(13-16)26-21(25-18)15-9-11-24-12-10-15/h2-13,20H,14H2,1H3,(H,25,26)(H,27,28)